NPASS Natural Product

Natural Product: NPC189773

Natural Product ID:	NPC189773
Common Name:	Toddacoumaquinone
IUPAC Name:	8-(5,7-dimethoxy-2-oxochromen-8-yl)-2-methoxy-6-methylnaphthalene-1,4-dione
Synonyms:
Molecular Formula:	C23H18O7
Standard InCHIKey:	SQTLGMZYHSFVGI-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C23H18O7/c1-11-7-13-15(24)9-18(29-4)22(26)20(13)14(8-11)21-17(28-3)10-16(27-2)12-5-6-19(25)30-23(12)21/h5-10H,1-4H3
Canonical SMILES:	COC1=CC(=O)c2c(C1=O)c(cc(c2)C)c1c(OC)cc(c2c1oc(=O)cc2)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO7213	Toddalia asiatica	Species	Rutaceae	Eukaryota				PMID[24597921]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1464	Individual Protein	Phosphodiesterase 4D	Homo sapiens	IC50	=	5510	nM	25682561

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC189773 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	332
0.1-0.2	1333
0.2-0.3	2578
0.3-0.4	5867
0.4-0.5	7216
0.5-0.6	2972
0.6-0.7	4698
0.7-0.8	4984
0.8-0.85	863
0.85-0.9	44
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9048	High Similarity	NPC472840
0.9007	High Similarity	NPC474660
0.8993	High Similarity	NPC473927
0.8919	High Similarity	NPC251372
0.8882	High Similarity	NPC473466
0.8874	High Similarity	NPC472841
0.8859	High Similarity	NPC189650
0.8824	High Similarity	NPC474414
0.8824	High Similarity	NPC230848
0.8816	High Similarity	NPC80370
0.8716	High Similarity	NPC472523
0.8716	High Similarity	NPC473209
0.8716	High Similarity	NPC136095
0.8707	High Similarity	NPC253616
0.8707	High Similarity	NPC103001
0.8658	High Similarity	NPC474037
0.8649	High Similarity	NPC36414
0.8639	High Similarity	NPC268081
0.86	High Similarity	NPC24075
0.8591	High Similarity	NPC472515
0.859	High Similarity	NPC329844
0.8571	High Similarity	NPC104796
0.8571	High Similarity	NPC97028
0.8571	High Similarity	NPC288036
0.8571	High Similarity	NPC158338
0.8571	High Similarity	NPC65589
0.8571	High Similarity	NPC97029
0.8571	High Similarity	NPC233267
0.8571	High Similarity	NPC100985
0.8571	High Similarity	NPC291049
0.8562	High Similarity	NPC142863
0.8553	High Similarity	NPC49282
0.8544	High Similarity	NPC201127
0.8543	High Similarity	NPC167663
0.8523	High Similarity	NPC17848
0.8514	High Similarity	NPC254741
0.8514	High Similarity	NPC161196
0.8514	High Similarity	NPC61546
0.8514	High Similarity	NPC186647
0.8514	High Similarity	NPC290601
0.8514	High Similarity	NPC72452
0.8506	High Similarity	NPC7025
0.8506	High Similarity	NPC105415
0.8506	High Similarity	NPC27221
0.8506	High Similarity	NPC256672
0.8503	High Similarity	NPC66705
0.8497	Intermediate Similarity	NPC470322
0.8497	Intermediate Similarity	NPC5820
0.8497	Intermediate Similarity	NPC178343
0.8497	Intermediate Similarity	NPC154217
0.8497	Intermediate Similarity	NPC306488
0.8493	Intermediate Similarity	NPC55147
0.8493	Intermediate Similarity	NPC472524
0.8493	Intermediate Similarity	NPC54503
0.8491	Intermediate Similarity	NPC474373
0.8471	Intermediate Similarity	NPC169990
0.8471	Intermediate Similarity	NPC210942
0.8467	Intermediate Similarity	NPC254994
0.8462	Intermediate Similarity	NPC258249
0.8462	Intermediate Similarity	NPC133856
0.8462	Intermediate Similarity	NPC98028
0.8456	Intermediate Similarity	NPC307883
0.8456	Intermediate Similarity	NPC157855
0.8456	Intermediate Similarity	NPC38153
0.8452	Intermediate Similarity	NPC164299
0.8452	Intermediate Similarity	NPC146014
0.8447	Intermediate Similarity	NPC108767
0.8442	Intermediate Similarity	NPC123202
0.8442	Intermediate Similarity	NPC52106
0.8442	Intermediate Similarity	NPC7943
0.8442	Intermediate Similarity	NPC471285
0.8442	Intermediate Similarity	NPC140120
0.8442	Intermediate Similarity	NPC22005
0.8442	Intermediate Similarity	NPC180477
0.8442	Intermediate Similarity	NPC218300
0.8442	Intermediate Similarity	NPC282335
0.8435	Intermediate Similarity	NPC292998
0.8431	Intermediate Similarity	NPC273538
0.8431	Intermediate Similarity	NPC208584
0.8431	Intermediate Similarity	NPC216538
0.8431	Intermediate Similarity	NPC469953
0.8431	Intermediate Similarity	NPC196137
0.8431	Intermediate Similarity	NPC1886
0.8431	Intermediate Similarity	NPC179970
0.8428	Intermediate Similarity	NPC263483
0.8425	Intermediate Similarity	NPC19157
0.8421	Intermediate Similarity	NPC215451
0.8421	Intermediate Similarity	NPC36181
0.8421	Intermediate Similarity	NPC277369
0.8411	Intermediate Similarity	NPC171094
0.8411	Intermediate Similarity	NPC472409
0.8408	Intermediate Similarity	NPC27615
0.8408	Intermediate Similarity	NPC217447
0.8408	Intermediate Similarity	NPC288534
0.8408	Intermediate Similarity	NPC40356
0.8408	Intermediate Similarity	NPC273483
0.8408	Intermediate Similarity	NPC154683
0.84	Intermediate Similarity	NPC71903
0.8397	Intermediate Similarity	NPC295036
0.8397	Intermediate Similarity	NPC191104
0.8397	Intermediate Similarity	NPC158866
0.8389	Intermediate Similarity	NPC472516
0.8387	Intermediate Similarity	NPC244407
0.8387	Intermediate Similarity	NPC161864
0.8387	Intermediate Similarity	NPC37139
0.8387	Intermediate Similarity	NPC208303
0.8387	Intermediate Similarity	NPC296869
0.8377	Intermediate Similarity	NPC57470
0.8377	Intermediate Similarity	NPC153758
0.8377	Intermediate Similarity	NPC124729
0.8377	Intermediate Similarity	NPC181388
0.8377	Intermediate Similarity	NPC163846
0.8377	Intermediate Similarity	NPC225173
0.8375	Intermediate Similarity	NPC245891
0.8375	Intermediate Similarity	NPC104876
0.8367	Intermediate Similarity	NPC101294
0.8367	Intermediate Similarity	NPC473655
0.8366	Intermediate Similarity	NPC293053
0.8366	Intermediate Similarity	NPC87609
0.8366	Intermediate Similarity	NPC112791
0.8366	Intermediate Similarity	NPC59522
0.8366	Intermediate Similarity	NPC9117
0.8366	Intermediate Similarity	NPC188632
0.8366	Intermediate Similarity	NPC24821
0.8366	Intermediate Similarity	NPC190637
0.8366	Intermediate Similarity	NPC196459
0.8366	Intermediate Similarity	NPC86069
0.8366	Intermediate Similarity	NPC94794
0.8366	Intermediate Similarity	NPC295696
0.8366	Intermediate Similarity	NPC212932
0.8366	Intermediate Similarity	NPC71739
0.8366	Intermediate Similarity	NPC470296
0.8366	Intermediate Similarity	NPC470216
0.8366	Intermediate Similarity	NPC158874
0.8366	Intermediate Similarity	NPC17262
0.8365	Intermediate Similarity	NPC474983
0.8365	Intermediate Similarity	NPC146211
0.8355	Intermediate Similarity	NPC110969
0.8355	Intermediate Similarity	NPC103362
0.8355	Intermediate Similarity	NPC254010
0.8354	Intermediate Similarity	NPC214632
0.8354	Intermediate Similarity	NPC473664
0.8354	Intermediate Similarity	NPC76647
0.8344	Intermediate Similarity	NPC209142
0.8344	Intermediate Similarity	NPC310370
0.8344	Intermediate Similarity	NPC474417
0.8344	Intermediate Similarity	NPC149526
0.8344	Intermediate Similarity	NPC183642
0.8344	Intermediate Similarity	NPC72958
0.8344	Intermediate Similarity	NPC312549
0.8344	Intermediate Similarity	NPC155552
0.8344	Intermediate Similarity	NPC11566
0.8344	Intermediate Similarity	NPC474170
0.8344	Intermediate Similarity	NPC109007
0.8344	Intermediate Similarity	NPC232645
0.8344	Intermediate Similarity	NPC474388
0.8344	Intermediate Similarity	NPC472535
0.8344	Intermediate Similarity	NPC262635
0.8344	Intermediate Similarity	NPC170812
0.8333	Intermediate Similarity	NPC19238
0.8333	Intermediate Similarity	NPC65775
0.8333	Intermediate Similarity	NPC259685
0.8333	Intermediate Similarity	NPC469932
0.8333	Intermediate Similarity	NPC470461
0.8333	Intermediate Similarity	NPC475144
0.8333	Intermediate Similarity	NPC88445
0.8333	Intermediate Similarity	NPC10027
0.8333	Intermediate Similarity	NPC475106
0.8333	Intermediate Similarity	NPC269420
0.8323	Intermediate Similarity	NPC166757
0.8323	Intermediate Similarity	NPC297886
0.8323	Intermediate Similarity	NPC237635
0.8323	Intermediate Similarity	NPC115432
0.8323	Intermediate Similarity	NPC125801
0.8323	Intermediate Similarity	NPC24673
0.8323	Intermediate Similarity	NPC104406
0.8323	Intermediate Similarity	NPC14001
0.8323	Intermediate Similarity	NPC201731
0.8323	Intermediate Similarity	NPC79469
0.8323	Intermediate Similarity	NPC249942
0.8323	Intermediate Similarity	NPC129650
0.8323	Intermediate Similarity	NPC260296
0.8323	Intermediate Similarity	NPC97716
0.8323	Intermediate Similarity	NPC259632
0.8322	Intermediate Similarity	NPC46869
0.8313	Intermediate Similarity	NPC474637
0.8312	Intermediate Similarity	NPC234629
0.8312	Intermediate Similarity	NPC178627
0.8312	Intermediate Similarity	NPC311741
0.8312	Intermediate Similarity	NPC134621
0.8312	Intermediate Similarity	NPC171656
0.8312	Intermediate Similarity	NPC469935
0.8312	Intermediate Similarity	NPC326500
0.8312	Intermediate Similarity	NPC131766
0.8311	Intermediate Similarity	NPC223354
0.8302	Intermediate Similarity	NPC149618
0.8302	Intermediate Similarity	NPC66508
0.8302	Intermediate Similarity	NPC89625
0.8302	Intermediate Similarity	NPC226656
0.8301	Intermediate Similarity	NPC200694

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC189773 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	353
0.1-0.2	976
0.2-0.3	1429
0.3-0.4	2483
0.4-0.5	2119
0.5-0.6	1151
0.6-0.7	464
0.7-0.8	162
0.8-0.85	21
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8958	High Similarity	NPD3748	Approved
0.8658	High Similarity	NPD3750	Approved
0.8516	High Similarity	NPD6599	Discontinued
0.8471	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8471	Intermediate Similarity	NPD7819	Suspended
0.8431	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8408	Intermediate Similarity	NPD6801	Discontinued
0.8389	Intermediate Similarity	NPD2796	Approved
0.8366	Intermediate Similarity	NPD6799	Approved
0.8344	Intermediate Similarity	NPD1243	Approved
0.8313	Intermediate Similarity	NPD7075	Discontinued
0.8303	Intermediate Similarity	NPD5844	Phase 1
0.8228	Intermediate Similarity	NPD7411	Suspended
0.8205	Intermediate Similarity	NPD920	Approved
0.8182	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.8148	Intermediate Similarity	NPD919	Approved
0.8105	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8086	Intermediate Similarity	NPD3749	Approved
0.8077	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8075	Intermediate Similarity	NPD3817	Phase 2
0.8025	Intermediate Similarity	NPD7768	Phase 2
0.8012	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6232	Discontinued
0.7987	Intermediate Similarity	NPD3226	Approved
0.7975	Intermediate Similarity	NPD5403	Approved
0.7964	Intermediate Similarity	NPD7473	Discontinued
0.7962	Intermediate Similarity	NPD5401	Approved
0.7939	Intermediate Similarity	NPD6959	Discontinued
0.7933	Intermediate Similarity	NPD4307	Phase 2
0.7919	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7853	Intermediate Similarity	NPD4288	Approved
0.7853	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD1510	Phase 2
0.7829	Intermediate Similarity	NPD1607	Approved
0.7826	Intermediate Similarity	NPD4380	Phase 2
0.7823	Intermediate Similarity	NPD3267	Approved
0.7823	Intermediate Similarity	NPD3266	Approved
0.7821	Intermediate Similarity	NPD7003	Approved
0.7821	Intermediate Similarity	NPD4628	Phase 3
0.7806	Intermediate Similarity	NPD1549	Phase 2
0.7806	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD5494	Approved
0.7765	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD5402	Approved
0.7742	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD2346	Discontinued
0.7736	Intermediate Similarity	NPD2533	Approved
0.7736	Intermediate Similarity	NPD2532	Approved
0.7736	Intermediate Similarity	NPD2534	Approved
0.7727	Intermediate Similarity	NPD2799	Discontinued
0.7727	Intermediate Similarity	NPD4308	Phase 3
0.7707	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD1240	Approved
0.7683	Intermediate Similarity	NPD1465	Phase 2
0.7683	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7682	Intermediate Similarity	NPD3268	Approved
0.7677	Intermediate Similarity	NPD1551	Phase 2
0.7667	Intermediate Similarity	NPD6832	Phase 2
0.7651	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD3926	Phase 2
0.7628	Intermediate Similarity	NPD1471	Phase 3
0.7619	Intermediate Similarity	NPD1247	Approved
0.7619	Intermediate Similarity	NPD3972	Approved
0.759	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD3882	Suspended
0.7584	Intermediate Similarity	NPD2797	Approved
0.7578	Intermediate Similarity	NPD1512	Approved
0.7566	Intermediate Similarity	NPD2313	Discontinued
0.7566	Intermediate Similarity	NPD1296	Phase 2
0.7551	Intermediate Similarity	NPD1281	Approved
0.7546	Intermediate Similarity	NPD7458	Discontinued
0.7542	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7177	Discontinued
0.75	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD7229	Phase 3
0.7471	Intermediate Similarity	NPD5953	Discontinued
0.747	Intermediate Similarity	NPD2801	Approved
0.7469	Intermediate Similarity	NPD6273	Approved
0.7468	Intermediate Similarity	NPD2979	Phase 3
0.7466	Intermediate Similarity	NPD1651	Approved
0.7453	Intermediate Similarity	NPD1511	Approved
0.7452	Intermediate Similarity	NPD6099	Approved
0.7452	Intermediate Similarity	NPD6100	Approved
0.7452	Intermediate Similarity	NPD2935	Discontinued
0.7438	Intermediate Similarity	NPD3887	Approved
0.7429	Intermediate Similarity	NPD6559	Discontinued
0.7427	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD2800	Approved
0.7419	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD5124	Phase 1
0.7415	Intermediate Similarity	NPD17	Approved
0.741	Intermediate Similarity	NPD1934	Approved
0.7405	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD2353	Approved
0.74	Intermediate Similarity	NPD3225	Approved
0.74	Intermediate Similarity	NPD1876	Approved
0.74	Intermediate Similarity	NPD1283	Approved
0.7399	Intermediate Similarity	NPD3751	Discontinued
0.7386	Intermediate Similarity	NPD4625	Phase 3
0.7386	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD6166	Phase 2
0.7384	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7371	Intermediate Similarity	NPD6797	Phase 2
0.7347	Intermediate Similarity	NPD5691	Approved
0.7346	Intermediate Similarity	NPD7390	Discontinued
0.7342	Intermediate Similarity	NPD5404	Approved
0.7342	Intermediate Similarity	NPD5405	Approved
0.7342	Intermediate Similarity	NPD5406	Approved
0.7342	Intermediate Similarity	NPD5408	Approved
0.7342	Intermediate Similarity	NPD2438	Suspended
0.7338	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD6798	Discontinued
0.733	Intermediate Similarity	NPD7251	Discontinued
0.7315	Intermediate Similarity	NPD1611	Approved
0.7315	Intermediate Similarity	NPD422	Phase 1
0.7308	Intermediate Similarity	NPD6355	Discontinued
0.7308	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD2798	Approved
0.7296	Intermediate Similarity	NPD2344	Approved
0.729	Intermediate Similarity	NPD8032	Phase 2
0.7288	Intermediate Similarity	NPD7808	Phase 3
0.7283	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD1608	Approved
0.7257	Intermediate Similarity	NPD7286	Phase 2
0.7256	Intermediate Similarity	NPD5049	Phase 3
0.725	Intermediate Similarity	NPD2897	Discontinued
0.7246	Intermediate Similarity	NPD5889	Approved
0.7246	Intermediate Similarity	NPD5890	Approved
0.7244	Intermediate Similarity	NPD4060	Phase 1
0.7238	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7237	Intermediate Similarity	NPD1203	Approved
0.7233	Intermediate Similarity	NPD4476	Approved
0.7233	Intermediate Similarity	NPD2531	Phase 2
0.7233	Intermediate Similarity	NPD4477	Approved
0.7226	Intermediate Similarity	NPD3764	Approved
0.7222	Intermediate Similarity	NPD8434	Phase 2
0.7222	Intermediate Similarity	NPD2354	Approved
0.7209	Intermediate Similarity	NPD7199	Phase 2
0.7208	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD4908	Phase 1
0.72	Intermediate Similarity	NPD3818	Discontinued
0.72	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD1933	Approved
0.7191	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD6585	Discontinued
0.7181	Intermediate Similarity	NPD4626	Approved
0.7172	Intermediate Similarity	NPD1241	Discontinued
0.717	Intermediate Similarity	NPD7033	Discontinued
0.7168	Intermediate Similarity	NPD5711	Approved
0.7168	Intermediate Similarity	NPD5710	Approved
0.7168	Intermediate Similarity	NPD3787	Discontinued
0.7159	Intermediate Similarity	NPD7054	Approved
0.7152	Intermediate Similarity	NPD9717	Approved
0.7152	Intermediate Similarity	NPD6651	Approved
0.7143	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7435	Discontinued
0.7143	Intermediate Similarity	NPD4287	Approved
0.7119	Intermediate Similarity	NPD7074	Phase 3
0.7119	Intermediate Similarity	NPD7472	Approved
0.7117	Intermediate Similarity	NPD2309	Approved
0.7112	Intermediate Similarity	NPD8285	Discontinued
0.7103	Intermediate Similarity	NPD5535	Approved
0.7093	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD2403	Approved
0.7078	Intermediate Similarity	NPD1019	Discontinued
0.707	Intermediate Similarity	NPD6233	Phase 2
0.7069	Intermediate Similarity	NPD6808	Phase 2
0.7059	Intermediate Similarity	NPD8455	Phase 2
0.7056	Intermediate Similarity	NPD8313	Approved
0.7056	Intermediate Similarity	NPD8312	Approved
0.7033	Intermediate Similarity	NPD8150	Discontinued
0.703	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD5242	Approved
0.7006	Intermediate Similarity	NPD411	Approved
0.7	Intermediate Similarity	NPD37	Approved
0.6994	Remote Similarity	NPD2654	Approved
0.6984	Remote Similarity	NPD6781	Approved
0.6984	Remote Similarity	NPD6777	Approved
0.6984	Remote Similarity	NPD6776	Approved
0.6984	Remote Similarity	NPD6782	Approved
0.6984	Remote Similarity	NPD6780	Approved
0.6984	Remote Similarity	NPD6779	Approved
0.6984	Remote Similarity	NPD6778	Approved
0.6978	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD4966	Approved
0.6977	Remote Similarity	NPD4967	Phase 2
0.6977	Remote Similarity	NPD4965	Approved
0.6974	Remote Similarity	NPD1610	Phase 2
0.6959	Remote Similarity	NPD8151	Discontinued

Structure

NPC189773 OpenBabel07101719512D 30 33 0 0 0 0 0 0 0 0999 V2000 -5.0433 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 3.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 3.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 -1.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 -0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2028 -2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8406 -1.4559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 2.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 2.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -2.4265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 19 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 9 18 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 12 16 1 0 0 0 0 12 23 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 24 2 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 19 25 2 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 26 2 0 0 0 0 23 30 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10046907
ChEMBL	CHEMBL3236000
ZINC

Physicochemical Properties

Molecular Weight:	406.11
ALogP:	0.1433
MLogP:	3.22
XLogP:	3.298
# Rotatable Bonds:	8
Polar Surface Area:	88.13
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	30

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